1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone

C17H14BrNO — CID 43340401

IUPAC1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H14BrNO/c1-11-4-2-3-5-12(11)8-17(20)15-10-19-16-7-6-13(18)9-14(15)16/h2-7,9-10,19H,8H2,1H3
InChIKeyLUNZRTOZXSOMSX-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.66
Rot. Bonds3

About 1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone

1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone (PubChem CID 43340401) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
PubChem CID43340401
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H14BrNO/c1-11-4-2-3-5-12(11)8-17(20)15-10-19-16-7-6-13(18)9-14(15)16/h2-7,9-10,19H,8H2,1H3
InChIKeyLUNZRTOZXSOMSX-UHFFFAOYSA-N
XLogP4.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43341943
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanone
CID 114373318
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
CID 162765516
5-(5-bromo-1H-indol-3-yl)-5-oxopentanoic acid
CID 43329853
1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone
CID 113296084
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
2-(5-bromo-1H-indole-3-carbonyl)benzoic acid
CID 43329854
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid
CID 161121014
(5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone
CID 79802966

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone (CID 43340401) is 1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is LUNZRTOZXSOMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-11-4-2-3-5-12(11)8-17(20)15-10-19-16-7-6-13(18)9-14(15)16/h2-7,9-10,19H,8H2,1H3.
What are the key properties of 1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone?
1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 328.21 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 43340401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).